Department Química Física i Inorgànica, University Rovira i Virgili, Tarragona, Spain.
Chemistry. 2012 Oct 1;18(40):12794-802. doi: 10.1002/chem.201200987. Epub 2012 Aug 30.
Most trivalent boron reagents are electrophiles owing to the vacancy for two electrons to fill the outer orbital of boron; however, interestingly, trivalent boron compounds can change their electrophilic character to a nucleophilic character by only changing the nature of the substituents on the boron atoms. With the help of computational tools, we have analyzed the structural- and electronic properties of boryl fragments that were either bonded to main-group metals or coordinated to transition-metals/rare-earth-metals and we have designed a map that might help to identify certain trends. This trend map will be useful for selecting an appropriate trivalent boron compound, depending on the sought reactivity.
大多数三价硼试剂都是亲电试剂，因为硼的外层轨道缺少两个电子来填充；然而，有趣的是，三价硼化合物可以通过改变硼原子上取代基的性质将其亲电性质转变为亲核性质。借助计算工具，我们分析了与主族金属键合或与过渡金属/稀土金属配位的硼基片段的结构和电子性质，并设计了一张可能有助于识别某些趋势的图谱。该趋势图可用于根据所需的反应性选择合适的三价硼化合物。
